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Theoretical Calculations of Refractive Indices and Optical Effects in Spectra of Nitric Acid and Nitric Acid Monohydrate Crystals

✍ Scribed by Fernández-Torre, D.; Escribano, R.; Herrero, V. J.; Maté, B.; Moreno, M. A.; Ortega, I. K.

Book ID
118234652
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
380 KB
Volume
109
Category
Article
ISSN
0022-3654

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## Abstract __The low‐ and high‐temperature phases (α and β, respectively) of solid nitric acid dihydrate (NAD) are studied in depth by DFT methods. Each phase contains two types of complex structures (H~3~O^+^)**⋅**(H~2~O), designated A and B, with different hydrogen‐bonding (HB) characteristics.